The theory of correlated electrons is currently moving beyond the paradigmatic Hubbard U, towards the investigation of intersite Coulomb interactions. Recent investigations have revealed that these interactions are relevant for the quantitative description of realistic materials. Physically, intersite interactions are responsible for two rather different effects: screening and bandwidth renormalization. We use a variational principle to disentangle the roles of these two processes and study how appropriate the recently proposed Fock treatment of intersite interactions is in correlated systems. The magnitude of this effect in graphene is calculated based on cRPA values of the intersite interaction. We also apply the variational principle to benzene and find effective parameters comparable to those obtained by ab initio density matrix downfolding.
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http://dx.doi.org/10.1088/1361-648X/ab36fe | DOI Listing |
ACS Nano
January 2025
Department of Physics and Astronomy, Interdisciplinary Nanoscience Center, Aarhus University, Aarhus C 8000, Denmark.
Superlattices from twisted graphene mono- and bilayer systems give rise to on-demand many-body states such as Mott insulators and unconventional superconductors. These phenomena are ascribed to a combination of flat bands and strong Coulomb interactions. However, a comprehensive understanding is lacking because the low-energy band structure strongly changes when an electric field is applied to vary the electron filling.
View Article and Find Full Text PDFPhys Rev Lett
November 2024
Department of Physics, University of California, Berkeley, California 94720, USA.
Recent experiments on rhombohedral pentalayer graphene with a substrate-induced moiré potential have identified both Chern insulators and fractional quantum Hall states at zero magnetic field. Surprisingly, these states are observed in strong displacement fields where the effects of the moiré lattice are weak, and seem to be readily accessed without fine-tuning. To address these experimental puzzles, we study a model of interacting electrons in this geometry.
View Article and Find Full Text PDFPhys Rev Lett
November 2024
Department of Physics, Cornell University, Ithaca, New York 14853, USA.
Few layers of graphene at small twist angles have emerged as a fascinating platform for studying the problem of strong interactions in regimes with a nearly quenched single-particle kinetic energy and nontrivial band topology. Starting from the strong-coupling limit of twisted bilayer graphene with a vanishing single-electron bandwidth and interlayer tunneling between the same sublattice sites, we present an exact analytical theory of the Coulomb interaction-induced low-energy optical spectral weight at all integer fillings. In this limit, while the interaction-induced single-particle dispersion is finite, the optical spectral weight vanishes identically at integer fillings.
View Article and Find Full Text PDFJ Phys Condens Matter
May 2024
School of Physics, Beihang University, Beijing 100191, People's Republic of China.
We investigated the band renormalization caused by the compressive-strain-induced lattice mismatch in parallel AA stacked bilayer graphene using two complementary methods: the tight-binding approach and the low-energy continuum theory. While a large mismatch does not alter the low-energy bands, a small one reduces the bandwidth of the low-energy bands along with a decrease in the Fermi velocity. In the tiny-mismatch regime, the low-energy continuum theory reveals that the long-period moiré pattern extensively renormalizes the low-energy bands, resulting in a significant reduction of bandwidth.
View Article and Find Full Text PDFPhys Rev Lett
September 2023
Department of Physics, Harvard University, Cambridge, Massachusetts 02138, USA.
The pursuit of exotic phases of matter outside of the extreme conditions of a quantizing magnetic field is a long-standing quest of solid state physics. Recent experiments have observed spontaneous valley polarization and fractional Chern insulators in zero magnetic field in twisted bilayers of MoTe_{2}, at partial filling of the topological valence band (ν=-2/3 and -3/5). We study the topological valence band at half filling, using exact diagonalization and density matrix renormalization group calculations.
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